(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine

C21H24ClN3 — CID 6880238

IUPAC(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESCc1ccc(CN2CCN(/N=C/C(Cl)=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24ClN3/c1-18-7-9-20(10-8-18)17-24-11-13-25(14-12-24)23-16-21(22)15-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3/b21-15-,23-16+
InChIKeyPNSAUKMYIUBZGE-OZCMVHISSA-N
MW353.90 g/mol
LogP4.38
Rot. Bonds5

About (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine

(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine (PubChem CID 6880238) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
PubChem CID6880238
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESCc1ccc(CN2CCN(/N=C/C(Cl)=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24ClN3/c1-18-7-9-20(10-8-18)17-24-11-13-25(14-12-24)23-16-21(22)15-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3/b21-15-,23-16+
InChIKeyPNSAUKMYIUBZGE-OZCMVHISSA-N
XLogP4.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6861821
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
CID 2794234
2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 5074564
(E,Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6900705
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
(Z,E)-N-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-3-phenylprop-2-en-1-imine
CID 6861770
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
CID 44723897
(E,E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 6861828

Frequently Asked Questions

What is the IUPAC name of (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The IUPAC name of (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine (CID 6880238) is (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is Cc1ccc(CN2CCN(/N=C/C(Cl)=C/c3ccccc3)CC2)cc1.
What is the InChIKey of (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The InChIKey is PNSAUKMYIUBZGE-OZCMVHISSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-18-7-9-20(10-8-18)17-24-11-13-25(14-12-24)23-16-21(22)15-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3/b21-15-,23-16+.
What are the key properties of (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine has a molecular weight of 353.90 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 6880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).